| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:35 UTC |
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| Update Date | 2025-03-21 18:00:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025695 |
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| Frequency | 149.8 |
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| Structure | |
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| Chemical Formula | C12H17NO2 |
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| Molecular Mass | 207.1259 |
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| SMILES | CC(C)c1ccc(CC(N)C(=O)O)cc1 |
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| InChI Key | CYHRSNOITZHLJN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesaromatic monoterpenoidscarbonyl compoundscarboxylic acidscumeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanesphenylpropanoic acids |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidp-cymenephenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcumeneamphetamine or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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